4-(1,3-benzodioxol-5-yl)-N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]benzamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]benzamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-1-phenethyl-propyl]benzamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]benzamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]benzamide Traditional Name: N-[2-(3-amidinobenzyl)-3-hydroxy-1-phenethyl-propyl]-4-(1,3-benzodioxol-5-yl)benzamide Formula: C33H33N3O4 MolecularWeight: 535.63282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)NC(CCC4=CC=CC=C4)C(CC5=CC=CC(=C5)C(=N)N)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C(=O)NC(CCC4=CC=CC=C4)C(CC5=CC=CC(=C5)C(=N)N)CO

InChI

InChI=1S/C33H33N3O4/c34-32(35)27-8-4-7-23(17-27)18-28(20-37)29(15-9-22-5-2-1-3-6-22)36-33(38)25-12-10-24(11-13-25)26-14-16-30-31(19-26)40-21-39-30/h1-8,10-14,16-17,19,28-29,37H,9,15,18,20-21H2,(H3,34,35)(H,36,38)